(phenylmethyl) 2-[4-(2-morpholin-4-ylethylcarbamothioyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-morpholin-4-ylethylcarbamothioyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2-morpholinoethylcarbamothioyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[[2-(4-morpholinyl)ethylamino]-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-morpholin-4-ylethylcarbamothioyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(2-morpholinoethylthiocarbamoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCCN2CCOCC2)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCCN2CCOCC2)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O3S/c26-20(28-18-19-5-2-1-3-6-19)17-24-8-4-9-25(12-11-24)21(29)22-7-10-23-13-15-27-16-14-23/h1-3,5-6H,4,7-18H2,(H,22,29)